Geometry & MOs

Info

ID:	242417
PubChem CID:	96099953
Reduced:	ON5C12H19 (1)
Stoich.:	AB5C12D19 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-2.0
Dipole, Da:	5.01
IP(EA), eV:	-7.93(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-phenyl-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pent-4-en-1-one

Drug info:

PubChemData

Smile

CNCC1=NC2=C(N1C[C@H](CN)O)C=CC(=C2)N

DOS

IR

Vibrations